5ZW5
| Structure of SeMet-spAimR | Descriptor: | AimR transcriptional regulator | Authors: | Cheng, W, Dou, C. | Deposit date: | 2018-05-14 | Release date: | 2018-08-29 | Last modified: | 2019-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
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5ZVW
| Structure of phAimR-Ligand | Descriptor: | AimR transcriptional regulator, SER-ALA-ILE-ARG-GLY-ALA | Authors: | Cheng, W, Dou, C. | Deposit date: | 2018-05-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities. Nat Microbiol, 3, 2018
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5TWN
| CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | Descriptor: | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA- DEPENDENT RNA POLYMERASE, ... | Authors: | Sheriff, S. | Deposit date: | 2016-11-14 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase. Medchemcomm, 8, 2017
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5TWM
| CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide, NS5B RNA-dependent RNA POLYMERASE, ... | Authors: | Sheriff, S. | Deposit date: | 2016-11-14 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase. Medchemcomm, 8, 2017
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6JG8
| Crystal structure of AimR in complex with DNA | Descriptor: | AimR transcriptional regulator, DNA (31-MER) | Authors: | Guan, Z.Y, Pei, K, Zou, T.T. | Deposit date: | 2019-02-13 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Structural insights into DNA recognition by AimR of the arbitrium communication system in the SPbeta phage. Cell Discov, 5, 2019
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4WWJ
| UndA, an oxygen-activating, non-heme iron dependent desaturase/decarboxylase | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | Authors: | Li, X, Cate, J.D.H. | Deposit date: | 2014-11-11 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase. Proc.Natl.Acad.Sci.USA, 111, 2014
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4WWZ
| UndA complexed with 2,3-dodecenoic acid | Descriptor: | (2E)-dodec-2-enoic acid, FE (III) ION, OXYGEN MOLECULE, ... | Authors: | Li, X, Cate, J.D.H. | Deposit date: | 2014-11-13 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Microbial biosynthesis of medium-chain 1-alkenes by a nonheme iron oxidase. Proc.Natl.Acad.Sci.USA, 111, 2014
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7SSM
| Crystal structure of human STING R232 in complex with compound 11 | Descriptor: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid, Stimulator of interferon genes protein | Authors: | Sack, J.S, Critton, D.A. | Deposit date: | 2021-11-11 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Discovery of Non-Nucleotide Small-Molecule STING Agonists via Chemotype Hybridization. J.Med.Chem., 65, 2022
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5KTW
| CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) | Descriptor: | 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein | Authors: | Murray, J.M, Boenig, G. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.087 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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5KTU
| Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold | Descriptor: | 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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6XF4
| Crystal structure of STING REF variant in complex with E7766 | Descriptor: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), 1,2-ETHANEDIOL, Stimulator of interferon genes protein | Authors: | Chen, Y, Wang, J.Y, Kim, D.-S. | Deposit date: | 2020-06-15 | Release date: | 2021-02-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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6XF3
| Crystal structure of STING in complex with E7766 | Descriptor: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name), Stimulator of interferon genes protein | Authors: | Chen, Y, Wang, J.Y, Kim, D.-S. | Deposit date: | 2020-06-15 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | E7766, a Macrocycle-Bridged Stimulator of Interferon Genes (STING) Agonist with Potent Pan-Genotypic Activity. Chemmedchem, 16, 2021
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1XSZ
| The structure of RalF | Descriptor: | guanine nucleotide exchange protein | Authors: | Amor, J.C, Swails, J, Roy, C.R, Nagai, H, Ingmundson, A, Cheng, X, Kahn, R.A. | Deposit date: | 2004-10-20 | Release date: | 2004-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | The structure of RalF, an ADP-ribosylation factor guanine nucleotide exchange factor from Legionella pneumophila, reveals the presence of a cap over the active site J.Biol.Chem., 280, 2005
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1XT0
| The Structure of N-terminal Sec7 domain of RalF | Descriptor: | guanine nucleotide exchange protein | Authors: | Amor, J.C, Swails, J, Roy, C.R, Nagai, H, Ingmundson, A, Cheng, X, Kahn, R.A. | Deposit date: | 2004-10-20 | Release date: | 2004-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The structure of RalF, an ADP-ribosylation factor guanine nucleotide exchange factor from Legionella pneumophila, reveals the presence of a cap over the active site J.Biol.Chem., 280, 2005
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6SFC
| EED in complex with a methyl-thiazole | Descriptor: | CALCIUM ION, N-(1,3-benzodioxol-4-ylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Read, J.A. | Deposit date: | 2019-08-01 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rapid Identification of Novel Allosteric PRC2 Inhibitors. Acs Chem.Biol., 14, 2019
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6SFB
| EED in complex with a triazolopyrimidine | Descriptor: | GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | Authors: | Read, J.A. | Deposit date: | 2019-08-01 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Rapid Identification of Novel Allosteric PRC2 Inhibitors. Acs Chem.Biol., 14, 2019
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3NO7
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2GKW
| Key contacts promote recongnito of BAFF-R by TRAF3 | Descriptor: | TNF receptor-associated factor 3, Tumor necrosis factor receptor superfamily member 13C | Authors: | Ely, K.R. | Deposit date: | 2006-04-03 | Release date: | 2006-04-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Key molecular contacts promote recognition of the BAFF receptor by TNF receptor-associated factor 3: implications for intracellular signaling regulation. J.Immunol., 173, 2004
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5ZIA
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5ZV3
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6VW4
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6AGF
| Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N. | Deposit date: | 2018-08-11 | Release date: | 2018-10-10 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1. Science, 362, 2018
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6WCR
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4Y86
| Crystal structure of PDE9 in complex with racemic inhibitor C33 | Descriptor: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, 6-{[(1S)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ... | Authors: | Huang, M. | Deposit date: | 2015-02-16 | Release date: | 2015-09-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor. Mol.Pharmacol., 88, 2015
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4Y87
| Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one) | Descriptor: | 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Huang, M. | Deposit date: | 2015-02-16 | Release date: | 2015-09-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor. Mol.Pharmacol., 88, 2015
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